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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006309

Gummiferin

Formula: C31H44K2O18S2  |  Mol. Weight: 847.00 g/mol

IUPAC: dipotassium;(1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylate

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Overview

Molecular Formula C31H44K2O18S2
Molecular Weight 847.00 g/mol
Canonical SMILES CC(C)CC(=O)OC1C(C(C(OC1OC2CC3(C4CCC5CC4(CCC3C(C2)(C(=O)[O-])C(=O)[O-])C(C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O.[K+].[K+]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy